1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
Chemical Structure Depiction of
1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide
Compound characteristics
| Compound ID: | E882-1391 |
| Compound Name: | 1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N~3~,N~4~-dimethyl-1H-pyrrole-3,4-disulfonamide |
| Molecular Weight: | 473.54 |
| Molecular Formula: | C18 H24 F N5 O5 S2 |
| Smiles: | CNS(c1cn(CC(N2CCN(CC2)c2ccccc2F)=O)cc1S(NC)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0342 |
| logD: | -0.0343 |
| logSw: | -2.3117 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.487 |
| InChI Key: | XVIUDOJDBTZQLX-UHFFFAOYSA-N |